* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    139    215     412
    1     0 S   NP   _N1_     1    30.93222    90.56066   -19.22765
    2     1 S   H    _HN1     2     1.03566   141.67422    13.56887
    3     1 S   H    _H1_     3     1.02925    86.60324   126.22058
    4     1 S   H    _H2_     4     1.02684    34.59315    -1.90372
    5     1 S   CT   _CA1     5     1.50094    95.15827  -123.49789
    6     5 S   HC   _HA1     6     1.09569   105.37914    84.05473
    7     5 S   CO3  _C1_     7     1.53647   112.81463   -36.59104
    8     7 S   O2Z  _O11     8     1.26375   115.15478   -43.26335
    9     7 S   O2Z  _O12     9     1.26282   114.96000   136.17862
   10     5 S   CT   _CB1    10     1.52748   106.96707  -158.42162
   11    10 S   HC   HB11    11     1.09712   108.64470   -55.70423
   12    10 S   HC   HB12    12     1.09805   110.01701    60.18016
   13    10 S   CT   _CG1    13     1.53088   114.03971  -176.74123
   14    13 S   HC   HG11    14     1.09536   111.22718   -77.62537
   15    13 S   HC   HG12    15     1.09591   110.72650    42.36534
   16    13 S   C    _CD1    16     1.51469   109.70716   161.37926
   17    16 S   O    _OE1    17     1.22839   121.80000  -112.56615
   18    16 S   N    _N2_    18     1.38419   112.99231    65.80776
   19    18 S   H    _HN2    19     1.01547   119.12869     9.07909
   20    18 S   CT1  _CA2    20     1.45957   123.29507  -168.32406
   21    20 S   HC   _HA2    21     1.09650   109.16951     9.79203
   22    20 S   C    _C2_    22     1.53374   109.29023  -105.91174
   23    22 S   O    _O2_    23     1.23059   122.20863  -139.49657
   24    20 S   CT   _CB2    32     1.53649   111.42207   131.08097
   25    24 S   HC   HB21    33     1.09697   109.28171    70.68998
   26    24 S   HC   HB22    34     1.09531   110.50925  -173.19369
   27    22 S   N    _N3_    24     1.38479   113.62046    47.59143
   28    27 S   H    _HN3    25     1.01498   119.15428     0.82187
   29    24 S   S    _SG2    35     1.83477   116.47764   -48.42647
   30    27 S   CT   _CA3    26     1.45423   123.05213   175.63929
   31    30 S   HC   HA31    27     1.09552   108.79525    32.43545
   32    30 S   HC   HA32    28     1.09486   107.21253   149.35713
   33    29 S   CT   _C13    36     1.83000   102.19552   -53.80638
   34    33 S   HC   _H5_    37     1.09240   106.58510    51.35799
   35    30 S   CO3  _C3_    29     1.52967   113.49614   -90.73617
   36    35 S   O2Z  _O31    30     1.26372   115.59722   -40.95408
   37    35 S   O2Z  _O32    31     1.26389   114.86167   140.01518
   38    33 S   CM   _C11    38     1.50544   113.77059   168.43820
   39    33 S   CT   _C14    54     1.53342   111.42237   -67.76638
   40    39 S   HC   _H15    55     1.09745   109.88215   -61.70327
   41    39 S   HC   _H16    56     1.09373   109.30928    55.65069
   42    38 S   CT   _C8_    39     1.51078   116.44989  -179.34181
   43    42 S   HC   _H4_    40     1.10056   108.03334  -168.10713
   44    38 S   CMA  _C12    71     1.51591   125.51248     8.35929
   45    44 S   OM   _O33    72     1.26284   120.35665  -104.30647
   46    44 S   OM   _O34    73     1.26228   120.65858    77.85244
   47    42 S   CT   _C9_    41     1.53573   111.78348    74.54109
   48    47 S   HC   _H11    42     1.09722   110.69343    53.63964
   49    47 S   HC   _H12    43     1.09708   110.78082   -63.96291
   50    47 S   CT   _C10    44     1.53034   110.97943   174.97056
   51    50 S   HC   _H13    45     1.09736   109.00417   -80.70654
   52    50 S   HC   _H14    46     1.09658   108.50830   163.15528
   53    50 S   CM   _C5_    47     1.50745   114.00659    40.30602
   54    53 S   CM   _C6_    48     1.34481   122.37910   -10.64847
   55    54 S   HC   _H10    49     1.08734   119.07978  -179.03369
   56    53 S   CT   _C4_    67     1.50079   115.85933   170.18426
   57    56 S   HC   _H7_    68     1.09479   110.27764   -60.97384
   58    56 S   HC   _H8_    69     1.09506   112.21005   178.95582
   59    56 S   HC   _H9_    70     1.09481   110.25951    58.87803
   60    42 S   CT   _C7_    50     1.55247   111.35058   -50.64741
   61    60 S   HC   _H3_    51     1.09845   106.25319   -71.51020
   62    60 S   CT   _C15    52     1.56544   113.00369    46.91666
   63    62 S   HC   _H6_    53     1.10032   107.23218    65.24599
   64    62 S   CT   _C16    57     1.56443   113.76219  -178.06316
   65    64 S   HC   _H17    58     1.09684   107.89258   -56.76062
   66    64 S   CT   _C17    59     1.53104   114.18771    62.35207
   67    66 S   HC   _H18    60     1.09415   111.87297    62.97770
   68    66 S   HC   _H19    61     1.09337   111.68038   -58.69234
   69    66 S   HC   _H20    62     1.09589   110.33184  -177.57432
   70    64 S   CT   _C18    63     1.53452   112.08770  -172.48503
   71    70 S   HC   _H21    64     1.09434   112.08647   -71.84207
   72    70 S   HC   _H22    65     1.09578   110.30379   168.75150
   73    70 S   HC   _H23    66     1.09488   110.99150    49.63850
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  16  13   5   4  18   9   4   1   1  11   6
   5  10   4   3   9  10   4   4   2   1   1   7   3  11   4   9
   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    62    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    60    62    63    39    40    41    64    44    45    46  
   38    42    62    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    50    54    60    61    62    39    40    41    44    45    46  
   40    41    64    65    66    70    44    42    54    60    61    62    63  
   41    64    60    62    63  
   64    60    62    63  
   43    47    48    49    50    51    52    53    54    55    60    61    62    63    64    44    45    46  
   47    48    49    50    54    60    61    62    44  
   45    46    47    60  
   46  
    0  
   48    49    50    51    52    53    54    60    61    62    56  
   49    50    51    52    53    60  
   50    51    52    53    60  
   51    52    53    54    55    60    56    57    58    59  
   52    53    54    56  
   53    54    56  
   54    55    60    61    62    56    57    58    59  
   55    60    61    62    63    64    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    70  
   62    63    64  
   63    64    65    66    67    68    69    70    71    72    73  
   64    65    66    70  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   317.000  1.510
   38    44   465.000  1.376
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    60   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   317.000  1.510
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   317.000  1.510
   60    61   340.000  1.090
   60    62   268.000  1.529
   62    63   340.000  1.090
   62    39   268.000  1.529
   62    64   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   44    45   745.000  1.250
   44    46   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    65.00000  117.92700
   33    38    44    70.00000  124.00000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    47    70.00000  112.02700
   38    42    60    70.00000  112.02700
   38    44    45    65.00000  137.10300
   38    44    46    65.00000  137.10300
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    58.35000  112.70000
   42    60    54    70.00000  112.02700
   42    60    61    37.50000  110.70000
   42    60    62    58.35000  112.70000
   47    42    43    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    70.00000  112.02700
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    70.00000  124.00000
   50    53    56    65.00000  117.92700
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  124.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  109.50000
   54    60    62    70.00000  112.02700
   60    42    43    37.50000  110.70000
   60    42    47    58.35000  112.70000
   60    54    55    35.00000  117.00000
   60    62    63    37.50000  110.70000
   60    62    39    58.35000  112.70000
   60    62    64    58.35000  112.70000
   62    60    61    37.50000  110.70000
   62    39    40    37.50000  110.70000
   62    39    41    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    58.35000  112.70000
   62    64    70    58.35000  112.70000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    62    63    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    62    63    37.50000  110.70000
   64    62    39    58.35000  112.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    73    37.50000  110.70000
   66    64    65    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    47   0.46850  1.0 1.0
   33    38    42    47   0.08550 -1.0 2.0
   33    38    42    47   0.09800  1.0 3.0
   33    38    42    60   0.46850  1.0 1.0
   33    38    42    60   0.08550 -1.0 2.0
   33    38    42    60   0.09800  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    62   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    62   0.34400  1.0 1.0
   38    33    39    62   0.09450 -1.0 2.0
   38    33    39    62   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.15000  1.0 3.0
   38    42    47    50   0.34400  1.0 1.0
   38    42    47    50   0.09450 -1.0 2.0
   38    42    47    50   0.11100  1.0 3.0
   38    42    60    54   0.31000  1.0 1.0
   38    42    60    54   0.14700 -1.0 2.0
   38    42    60    54   0.07550  1.0 3.0
   38    42    60    61   0.15000  1.0 3.0
   38    42   -60    62   0.34400  1.0 1.0
   38    42   -60    62   0.09450 -1.0 2.0
   38    42   -60    62   0.11100  1.0 3.0
   42    38    44    45   7.00000 -1.0 2.0
   42    38    44    46   7.00000 -1.0 2.0
   42    47    50    51   0.15000  1.0 3.0
   42    47    50    52   0.15000  1.0 3.0
   42    47    50    53   0.34400  1.0 1.0
   42    47    50    53   0.09450 -1.0 2.0
   42    47    50    53   0.11100  1.0 3.0
   42    60    62    63   0.15000  1.0 3.0
   42    60    62    39   0.56750  1.0 1.0
   42    60    62    39  -0.07550 -1.0 2.0
   42    60    62    39   0.20000  1.0 3.0
   42    60    62    64   0.56750  1.0 1.0
   42    60    62    64  -0.07550 -1.0 2.0
   42    60    62    64   0.20000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    42    60    54   0.15000  1.0 3.0
   43    42    60    61   0.15000  1.0 3.0
   43    42    60    62   0.15000  1.0 3.0
   47    42    60    54   0.34400  1.0 1.0
   47    42    60    54   0.09450 -1.0 2.0
   47    42    60    54   0.11100  1.0 3.0
   47    42    60    61   0.15000  1.0 3.0
   47    42    60    62   0.56750  1.0 1.0
   47    42    60    62  -0.07550 -1.0 2.0
   47    42    60    62   0.20000  1.0 3.0
   47    50   -53    54   0.09850  1.0 1.0
   47    50   -53    54   0.15250 -1.0 2.0
   47    50   -53    54  -0.50650  1.0 3.0
   47    50    53    56   0.46850  1.0 1.0
   47    50    53    56   0.08550 -1.0 2.0
   47    50    53    56   0.09800  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    54    55   7.00000 -1.0 2.0
   50    53    54    60   7.00000 -1.0 2.0
   50    53    56    57   0.34800  1.0 3.0
   50    53    56    58   0.34800  1.0 3.0
   50    53    56    59   0.34800  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    56   0.34800  1.0 3.0
   52    50    53    54   0.00000  1.0 1.0
   52    50    53    56   0.34800  1.0 3.0
   53    54   -60    42   0.09850  1.0 1.0
   53    54   -60    42   0.15250 -1.0 2.0
   53    54   -60    42  -0.50650  1.0 3.0
   53    54    60    61   0.00000  1.0 1.0
   53    54    60    62   0.09850  1.0 1.0
   53    54    60    62   0.15250 -1.0 2.0
   53    54    60    62  -0.50650  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   54    60    62    63   0.15000  1.0 3.0
   54    60    62    39   0.34400  1.0 1.0
   54    60    62    39   0.09450 -1.0 2.0
   54    60    62    39   0.11100  1.0 3.0
   54    60    62    64   0.34400  1.0 1.0
   54    60    62    64   0.09450 -1.0 2.0
   54    60    62    64   0.11100  1.0 3.0
   55    54    60    42   0.00000  1.0 1.0
   55    54    60    61   0.33100  1.0 3.0
   55    54    60    62   0.00000  1.0 1.0
   60    42    47    48   0.15000  1.0 3.0
   60    42    47    49   0.15000  1.0 3.0
   60    42   -47    50   0.56750  1.0 1.0
   60    42   -47    50  -0.07550 -1.0 2.0
   60    42   -47    50   0.20000  1.0 3.0
   60    62   -39    33   0.56750  1.0 1.0
   60    62   -39    33  -0.07550 -1.0 2.0
   60    62   -39    33   0.20000  1.0 3.0
   60    62    39    40   0.15000  1.0 3.0
   60    62    39    41   0.15000  1.0 3.0
   60    62    64    65   0.15000  1.0 3.0
   60    62    64    66   0.56750  1.0 1.0
   60    62    64    66  -0.07550 -1.0 2.0
   60    62    64    66   0.20000  1.0 3.0
   60    62    64    70   0.56750  1.0 1.0
   60    62    64    70  -0.07550 -1.0 2.0
   60    62    64    70   0.20000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    39   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    68   0.15000  1.0 3.0
   62    64    66    69   0.15000  1.0 3.0
   62    64    70    71   0.15000  1.0 3.0
   62    64    70    72   0.15000  1.0 3.0
   62    64    70    73   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   63    62    39    41   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    70   0.15000  1.0 3.0
   39    33   -38    42   0.46850  1.0 1.0
   39    33   -38    42   0.08550 -1.0 2.0
   39    33   -38    42   0.09800  1.0 3.0
   39    33    38    44   0.09850  1.0 1.0
   39    33    38    44   0.15250 -1.0 2.0
   39    33    38    44  -0.50650  1.0 3.0
   39    62    64    65   0.15000  1.0 3.0
   39    62    64    66   0.56750  1.0 1.0
   39    62    64    66  -0.07550 -1.0 2.0
   39    62    64    66   0.20000  1.0 3.0
   39    62    64    70   0.56750  1.0 1.0
   39    62    64    70  -0.07550 -1.0 2.0
   39    62    64    70   0.20000  1.0 3.0
   64    62    39    33   0.56750  1.0 1.0
   64    62    39    33  -0.07550 -1.0 2.0
   64    62    39    33   0.20000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   64    62    39    41   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    73   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    73   0.15000  1.0 3.0
   70    64    66    67   0.15000  1.0 3.0
   70    64    66    68   0.15000  1.0 3.0
   70    64    66    69   0.15000  1.0 3.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    60   7.00000 -1.0 2.0
   44    38    42    43   0.00000  1.0 1.0
   44    38    42    47   0.09850  1.0 1.0
   44    38    42    47   0.15250 -1.0 2.0
   44    38    42    47  -0.50650  1.0 3.0
   44    38    42    60   0.09850  1.0 1.0
   44    38    42    60   0.15250 -1.0 2.0
   44    38    42    60  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    44   1.10000 -1.0 2.0
   50    56    53    54   1.10000 -1.0 2.0
   60    55    54    53   1.10000 -1.0 2.0
   45    46    44    38   1.10000 -1.0 2.0
END
